Molecule ID: mol12389

SMILES: C[n+]1ccncc1O

InChI: InChI=1S/C5H6N2O/c1-7-3-2-6-4-5(7)8/h2-4H,1H3/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.04 Datawarrior 1 » 0
-0.04 AttenGpKa training set 1 » 0
-0.04 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization